==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-APR-13 4BJU . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR W.FANG,O.G.RAIMI,R.HURTADO GUERRERO,D.M.F.VAN AALTEN . 1090 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 58 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 2 2 6 2 5 1 2 2 4 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 8 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 190 0, 0.0 2,-0.3 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 11.4 68.7 40.8 53.6 2 2 A A + 0 0 44 1,-0.1 113,-0.0 113,-0.0 0, 0.0 -0.815 360.0 42.2-123.8 162.3 71.5 38.2 52.7 3 3 A S > + 0 0 37 -2,-0.3 4,-2.0 0, 0.0 5,-0.1 0.634 8.7 178.4-148.9 159.3 73.9 37.1 51.1 4 4 A P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.938 98.8 45.7 -57.4 -55.3 77.4 37.9 49.5 5 5 A A H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.832 113.6 52.1 -61.7 -33.3 78.3 34.3 48.2 6 6 A V H > S+ 0 0 16 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.908 108.5 49.3 -67.4 -45.8 74.8 33.9 46.8 7 7 A R H X S+ 0 0 80 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.927 114.1 46.4 -56.5 -52.4 74.9 37.2 44.9 8 8 A K H X S+ 0 0 129 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 113.2 48.2 -54.1 -53.5 78.2 36.3 43.4 9 9 A A H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.848 111.1 53.3 -61.1 -35.2 77.0 32.7 42.5 10 10 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 141,-0.3 -2,-0.2 0.967 113.4 38.8 -61.5 -56.3 73.9 34.2 40.9 11 11 A S H X S+ 0 0 33 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.784 115.4 55.3 -69.0 -28.0 75.7 36.6 38.6 12 12 A D H < S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.926 111.0 42.2 -69.1 -48.7 78.4 34.1 37.8 13 13 A A H >< S+ 0 0 22 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.779 109.9 59.2 -70.3 -29.7 76.0 31.3 36.7 14 14 A A H >< S+ 0 0 0 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.846 91.0 70.5 -63.2 -35.3 74.0 33.9 34.8 15 15 A L T 3< S+ 0 0 118 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.509 82.2 74.6 -64.2 -4.5 77.1 34.7 32.8 16 16 A Q T < S+ 0 0 150 -3,-1.1 -1,-0.3 -4,-0.1 2,-0.2 0.732 99.1 47.0 -75.8 -24.1 76.7 31.3 31.1 17 17 A Y < - 0 0 47 -3,-2.3 2,-0.3 -4,-0.2 87,-0.0 -0.524 69.8-141.9-116.6 175.3 73.8 32.6 29.0 18 18 A A - 0 0 78 -2,-0.2 23,-0.3 86,-0.0 22,-0.1 -0.998 23.6-113.8-141.8 138.2 72.9 35.7 26.9 19 19 A K - 0 0 64 -2,-0.3 2,-0.1 1,-0.1 20,-0.1 -0.539 39.9-109.1 -71.2 131.2 69.6 37.6 26.4 20 20 A P > - 0 0 25 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.405 52.5 -75.8 -58.3 132.0 68.1 37.3 22.9 21 21 A E T 3 S- 0 0 208 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.394 101.7 -30.2 18.6-116.7 68.3 40.5 20.8 22 22 A G T 3 S+ 0 0 67 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.215 86.7 159.2-118.7 41.2 65.7 42.9 22.1 23 23 A K < - 0 0 111 -3,-1.8 2,-0.4 15,-0.0 0, 0.0 -0.520 26.3-157.6 -73.3 124.1 63.1 40.5 23.4 24 24 A I - 0 0 143 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.874 16.2-152.9 -96.5 132.9 60.7 41.8 26.0 25 25 A F - 0 0 9 -2,-0.4 2,-0.3 72,-0.2 76,-0.1 -0.798 14.3-171.3-109.8 149.3 59.1 39.1 28.1 26 26 A Q - 0 0 156 -2,-0.3 2,-1.0 5,-0.1 68,-0.1 -0.989 22.5-136.9-139.1 134.5 55.8 38.7 30.0 27 27 A Y + 0 0 4 -2,-0.3 5,-0.2 66,-0.3 70,-0.1 -0.789 43.0 164.7 -85.2 103.1 54.7 36.0 32.5 28 28 A G B > -A 31 0A 29 3,-2.0 3,-1.0 -2,-1.0 2,-0.2 0.143 50.6 -36.7 -95.2-152.0 51.1 35.4 31.3 29 29 A T T 3 S+ 0 0 97 1,-0.2 -1,-0.3 50,-0.0 333,-0.0 -0.587 138.6 15.8 -66.3 139.9 48.7 32.7 32.0 30 30 A A T 3 S- 0 0 27 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.434 119.3-107.9 66.7 -0.3 50.7 29.4 32.2 31 31 A G B < S+A 28 0A 6 -3,-1.0 -3,-2.0 46,-0.1 2,-0.4 -0.656 73.3 0.5 100.4-141.2 53.9 31.5 32.5 32 32 A F E +B 78 0B 1 46,-1.9 46,-1.9 -2,-0.3 2,-0.3 -0.811 65.8 167.4 -90.4 135.9 56.6 32.1 29.9 33 33 A R E +B 77 0B 71 -2,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.931 18.6 103.8-156.9 121.7 56.1 30.4 26.6 34 34 A M E S-B 76 0B 34 42,-1.6 42,-2.0 -2,-0.3 5,-0.1 -0.930 73.1 -25.0-176.1-177.2 58.0 30.9 23.3 35 35 A K E > -B 75 0B 106 -2,-0.3 3,-2.1 40,-0.2 40,-0.3 -0.351 60.3-126.5 -55.6 132.0 60.6 29.5 21.0 36 36 A A G > S+ 0 0 7 38,-2.7 3,-1.1 1,-0.3 4,-0.2 0.701 105.2 63.1 -59.0 -27.1 62.9 27.2 23.1 37 37 A D G 3 S+ 0 0 123 37,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.436 100.6 53.8 -80.5 3.4 66.1 29.0 21.9 38 38 A L G < S+ 0 0 42 -3,-2.1 4,-0.3 1,-0.1 -1,-0.2 0.356 94.8 78.1-105.0 4.4 64.9 32.3 23.5 39 39 A L <> + 0 0 0 -3,-1.1 4,-2.4 1,-0.2 5,-0.3 0.473 57.0 91.4-106.7 -8.9 64.4 30.6 26.9 40 40 A N H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.943 96.4 37.5 -54.2 -57.0 67.7 30.1 28.8 41 41 A T H > S+ 0 0 4 -23,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.803 115.1 57.6 -69.0 -27.1 67.8 33.4 30.7 42 42 A V H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.930 107.1 44.8 -69.6 -50.3 64.0 33.2 31.3 43 43 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.796 110.4 57.9 -61.5 -33.2 64.0 29.8 33.0 44 44 A Y H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.3 3,-0.4 0.968 105.2 49.2 -59.1 -50.5 67.0 31.1 35.0 45 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.850 110.0 51.5 -57.0 -39.7 64.9 34.0 36.3 46 46 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.813 104.4 55.8 -69.1 -34.4 62.1 31.5 37.2 47 47 A G H X S+ 0 0 0 -4,-1.8 4,-1.3 -3,-0.4 -2,-0.2 0.937 112.1 45.2 -60.3 -45.0 64.6 29.3 39.2 48 48 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.884 112.4 49.5 -64.2 -40.6 65.4 32.5 41.1 49 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.935 107.6 55.3 -64.3 -45.4 61.7 33.5 41.5 50 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 77,-0.2 0.801 103.1 55.5 -56.6 -34.8 60.9 30.0 42.8 51 51 A T H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.926 110.6 45.7 -65.3 -45.0 63.5 30.3 45.5 52 52 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.843 110.1 53.1 -67.0 -37.4 61.9 33.5 46.7 53 53 A R H X S+ 0 0 12 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.908 110.6 46.9 -65.2 -40.9 58.3 32.1 46.6 54 54 A S H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 6,-0.9 0.949 114.4 46.7 -66.3 -48.2 59.3 29.1 48.7 55 55 A K H ><5S+ 0 0 27 -4,-2.0 3,-1.2 1,-0.2 66,-0.4 0.885 109.5 53.0 -61.5 -43.8 61.1 31.2 51.3 56 56 A K H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 2,-0.2 0.872 110.2 51.5 -57.3 -37.9 58.3 33.8 51.5 57 57 A L T ><5S- 0 0 44 -4,-1.6 3,-1.2 -5,-0.2 -1,-0.3 -0.263 128.0 -93.2-100.1 44.2 56.0 30.8 52.2 58 58 A S T < 5S- 0 0 91 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.731 79.1 -57.1 58.4 29.5 58.0 29.2 55.1 59 59 A G T 3 - 0 0 0 -2,-0.3 3,-2.0 1,-0.2 2,-0.2 0.114 35.8-154.3-123.7 16.2 54.5 24.5 26.3 69 69 A X T 3 S+ 0 0 27 1,-0.3 -1,-0.2 216,-0.1 216,-0.2 -0.318 74.5 10.4 62.6-114.1 51.3 22.4 26.2 70 70 A H T 3 S+ 0 0 75 -2,-0.2 -1,-0.3 214,-0.1 191,-0.1 0.644 104.5 113.4 -68.6 -21.7 49.5 22.5 22.7 71 71 A N S < S- 0 0 26 -3,-2.0 -3,-0.2 1,-0.1 214,-0.0 -0.064 74.9 -90.0 -68.3 154.9 52.5 24.2 21.1 72 72 A P > - 0 0 71 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 -0.227 47.1 -92.5 -62.2 151.8 54.8 22.7 18.4 73 73 A A T 3 S+ 0 0 26 180,-0.6 63,-0.4 1,-0.3 64,-0.3 0.535 119.7 59.4 -30.9 -31.3 58.0 20.8 19.2 74 74 A E T 3 S+ 0 0 95 61,-0.1 -38,-2.7 62,-0.1 -37,-0.3 0.495 92.8 77.5 -95.3 -2.5 60.3 23.8 19.1 75 75 A D E < +B 35 0B 26 -3,-2.9 2,-0.3 -40,-0.3 -40,-0.2 -0.609 54.7 174.8 -90.5 161.1 58.6 25.8 21.8 76 76 A N E -B 34 0B 0 -42,-2.0 -42,-1.6 -2,-0.2 2,-0.3 -0.896 5.9-167.4-145.8-173.0 58.9 25.3 25.5 77 77 A G E -B 33 0B 0 -2,-0.3 -10,-0.6 -44,-0.2 2,-0.3 -0.971 11.3-146.3-167.3 176.6 57.7 27.0 28.6 78 78 A V E +BD 32 66B 1 -46,-1.9 -46,-1.9 -2,-0.3 2,-0.3 -0.979 16.0 173.3-160.4 130.7 58.0 27.3 32.3 79 79 A K E - D 0 65B 18 -14,-1.4 -14,-2.1 -2,-0.3 2,-0.3 -0.995 26.8-122.3-145.5 148.1 55.5 28.1 35.1 80 80 A L E - D 0 64B 0 -2,-0.3 8,-1.2 -16,-0.2 2,-0.5 -0.633 17.6-153.2 -89.1 147.6 55.5 28.1 38.9 81 81 A V E -ED 87 63B 0 -18,-2.8 -18,-2.4 -2,-0.3 6,-0.2 -0.991 16.4-132.5-122.0 126.5 53.0 26.1 41.0 82 82 A D > - 0 0 4 4,-3.0 3,-2.5 -2,-0.5 4,-0.2 -0.237 36.5 -86.8 -77.8 166.7 52.1 27.3 44.4 83 83 A P T 3 S+ 0 0 6 0, 0.0 92,-0.4 0, 0.0 -22,-0.1 0.702 125.9 47.0 -49.5 -34.6 52.1 25.1 47.6 84 84 A M T 3 S- 0 0 41 90,-0.1 88,-0.1 3,-0.1 3,-0.1 0.144 124.3 -98.5 -95.3 19.0 48.5 23.7 47.2 85 85 A G S < S+ 0 0 0 -3,-2.5 2,-0.2 1,-0.3 3,-0.1 0.614 82.6 136.7 74.8 12.8 49.1 22.9 43.6 86 86 A E - 0 0 71 -4,-0.2 -4,-3.0 1,-0.1 -1,-0.3 -0.549 64.4 -85.9 -90.8 160.2 47.4 26.1 42.5 87 87 A M B -E 81 0B 53 337,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.343 62.3 -80.5 -61.6 139.3 48.5 28.5 39.8 88 88 A L - 0 0 3 -8,-1.2 -1,-0.1 1,-0.1 5,-0.1 -0.083 60.5 -87.3 -38.8 131.9 51.1 31.1 41.0 89 89 A E >> - 0 0 92 1,-0.1 3,-2.3 -3,-0.1 4,-0.6 -0.190 38.0-120.1 -48.5 130.3 49.5 34.2 42.8 90 90 A A H >> S+ 0 0 60 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.798 110.5 53.9 -45.1 -42.2 48.4 36.8 40.2 91 91 A E H 34 S+ 0 0 147 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.685 99.0 62.3 -74.4 -16.3 50.7 39.5 41.7 92 92 A W H <> S+ 0 0 15 -3,-2.3 4,-2.0 1,-0.2 3,-0.4 0.625 85.5 75.9 -82.7 -13.5 53.8 37.3 41.5 93 93 A E H S+ 0 0 35 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.922 107.8 50.3 -72.4 -48.2 58.0 39.7 39.7 96 96 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.942 111.9 50.2 -49.9 -48.2 58.7 36.9 37.2 97 97 A T H X S+ 0 0 22 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.886 107.7 51.8 -59.7 -45.9 58.4 39.5 34.5 98 98 A K H < S+ 0 0 95 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.897 113.2 45.7 -58.0 -42.9 60.8 42.0 36.2 99 99 A L H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.885 111.7 50.8 -69.6 -40.4 63.4 39.2 36.6 100 100 A A H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.7 48.2 -63.2 -38.4 63.0 38.0 32.9 101 101 A N T 3< S+ 0 0 52 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.421 89.2 106.6 -87.1 -2.4 63.4 41.5 31.5 102 102 A A S < S- 0 0 9 -3,-0.7 2,-0.2 -4,-0.4 5,-0.1 -0.441 81.1-106.3 -71.4 146.4 66.5 42.4 33.6 103 103 A P > - 0 0 74 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.548 32.7-123.7 -60.5 146.1 69.9 42.6 31.9 104 104 A L G > S+ 0 0 20 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.802 108.4 60.3 -65.1 -36.5 71.8 39.5 33.1 105 105 A E G 3 S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.683 113.0 41.0 -64.7 -19.4 74.8 41.4 34.5 106 106 A N G X> S+ 0 0 77 -3,-0.9 3,-1.7 1,-0.1 4,-1.4 0.459 83.3 100.1-107.7 -6.2 72.2 43.1 36.9 107 107 A I H <> S+ 0 0 5 -3,-0.7 4,-1.7 -4,-0.4 -2,-0.1 0.762 77.2 60.1 -57.9 -29.6 70.1 40.0 37.7 108 108 A G H 3> S+ 0 0 0 -4,-0.4 4,-0.9 1,-0.2 -1,-0.3 0.780 107.6 46.3 -66.5 -27.3 71.8 39.5 41.1 109 109 A D H <> S+ 0 0 86 -3,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.764 107.2 54.5 -86.8 -30.7 70.7 43.0 42.2 110 110 A V H X S+ 0 0 20 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.839 105.4 55.7 -70.6 -34.2 67.1 42.6 41.0 111 111 A Y H X S+ 0 0 5 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.913 109.8 45.8 -57.5 -44.2 67.1 39.5 43.2 112 112 A D H X S+ 0 0 35 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.856 107.9 56.6 -66.3 -41.4 68.1 41.8 46.1 113 113 A E H X S+ 0 0 131 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.865 111.3 45.1 -53.0 -41.2 65.5 44.3 45.1 114 114 A L H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.828 104.4 57.6 -80.9 -36.9 62.9 41.6 45.5 115 115 A V H <>S+ 0 0 11 -4,-1.9 5,-1.4 1,-0.2 4,-0.3 0.753 115.6 41.6 -64.8 -21.6 64.1 40.1 48.8 116 116 A K H <5S+ 0 0 181 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.853 116.7 45.0 -88.1 -43.5 63.5 43.6 50.1 117 117 A E H <5S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.896 120.5 40.3 -67.9 -38.6 60.3 44.4 48.3 118 118 A I T <5S- 0 0 13 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.2 0.737 103.0-133.6 -82.9 -24.0 58.7 41.0 49.1 119 119 A D T 5 - 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0 0 23 -16,-1.8 4,-2.6 -2,-0.5 5,-0.2 -0.216 29.4-108.2 -61.9 160.8 34.6 23.0 49.4 391 391 A E H > S+ 0 0 160 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.936 124.7 53.9 -54.5 -49.3 35.5 21.8 53.0 392 392 A N H > S+ 0 0 82 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.939 108.6 49.4 -47.0 -53.9 31.8 22.2 53.7 393 393 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 114.0 43.8 -51.9 -52.9 31.1 19.9 50.7 394 394 A L H X S+ 0 0 62 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.932 115.6 49.1 -60.2 -46.3 33.6 17.2 51.9 395 395 A K H X S+ 0 0 112 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.926 110.9 46.7 -63.3 -49.1 32.5 17.4 55.4 396 396 A T H X S+ 0 0 24 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.852 115.4 48.1 -68.2 -30.9 28.7 17.1 54.8 397 397 A I H < S+ 0 0 9 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.972 115.2 44.9 -62.1 -54.3 29.5 14.1 52.4 398 398 A K H < S+ 0 0 154 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.779 122.9 35.4 -61.8 -30.0 31.8 12.5 55.0 399 399 A N H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.648 82.3 109.9-107.2 -20.4 29.4 13.1 57.9 400 400 A T < - 0 0 32 -4,-1.7 -74,-0.0 -5,-0.2 11,-0.0 -0.361 63.1-132.2 -63.8 135.3 25.8 12.7 56.7 401 401 A E - 0 0 154 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.827 23.9-130.7 -90.9 121.0 24.0 9.6 58.0 402 402 A P - 0 0 46 0, 0.0 -78,-0.1 0, 0.0 -77,-0.1 -0.394 14.7-161.9 -77.8 145.4 22.2 7.7 55.2 403 403 A Q S S+ 0 0 158 1,-0.1 3,-0.0 -2,-0.1 -78,-0.0 0.222 75.0 25.0-109.4 10.8 18.6 6.6 55.4 404 404 A S S > S- 0 0 51 1,-0.1 4,-3.0 0, 0.0 5,-0.2 -0.957 79.9-110.0-165.8 155.2 18.6 4.0 52.6 405 405 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.765 122.0 51.7 -62.7 -27.0 21.2 1.8 50.7 406 406 A A H > S+ 0 0 40 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.931 109.9 48.0 -69.8 -49.5 20.7 4.0 47.7 407 407 A Q H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.924 115.6 44.9 -56.5 -48.3 21.4 7.1 49.8 408 408 A Q H X S+ 0 0 94 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.931 110.8 53.0 -60.9 -47.4 24.5 5.4 51.2 409 409 A R H X S+ 0 0 149 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.886 110.4 48.9 -55.8 -39.9 25.7 4.2 47.8 410 410 A S H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.896 110.4 49.8 -67.0 -44.9 25.4 7.7 46.5 411 411 A L H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.881 113.8 45.6 -59.8 -44.3 27.4 9.2 49.4 412 412 A E H X S+ 0 0 58 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.964 113.7 49.3 -60.7 -53.5 30.1 6.6 49.0 413 413 A C H X S+ 0 0 10 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.920 112.9 47.5 -49.6 -51.2 30.1 7.2 45.2 414 414 A L H X S+ 0 0 6 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.864 109.1 54.2 -59.0 -41.1 30.4 11.0 45.9 415 415 A Q H >X S+ 0 0 65 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.956 108.9 48.7 -60.1 -49.6 33.2 10.4 48.4 416 416 A A H >X S+ 0 0 7 -4,-2.7 4,-1.8 1,-0.2 3,-1.3 0.895 104.3 58.8 -55.2 -43.4 35.2 8.5 45.8 417 417 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.857 98.0 62.5 -57.7 -33.1 34.6 11.2 43.1 418 418 A T H << S+ 0 0 6 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.801 109.1 38.5 -62.5 -31.8 36.3 13.6 45.5 419 419 A D H << S+ 0 0 76 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.694 115.3 53.9 -90.9 -21.2 39.6 11.5 45.4 420 420 A L H < S+ 0 0 1 -4,-1.8 2,-0.6 -222,-0.2 -2,-0.2 0.832 95.7 73.0 -77.9 -36.9 39.3 10.8 41.6 421 421 A I S < S- 0 0 2 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.1 -0.742 89.7-119.7 -93.1 118.5 38.9 14.4 40.5 422 422 A N - 0 0 8 -2,-0.6 -35,-0.3 5,-0.2 5,-0.1 -0.355 23.6-167.9 -56.5 121.1 42.1 16.5 40.6 423 423 A Q S S+ 0 0 23 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.665 80.1 51.9 -87.8 -18.7 41.4 19.4 43.0 424 424 A A S S- 0 0 10 1,-0.3 2,-0.3 -259,-0.1 -337,-0.2 0.883 120.9 -5.1 -86.2 -40.0 44.5 21.4 42.1 425 425 A V S S- 0 0 10 -339,-0.1 -1,-0.3 -260,-0.1 -3,-0.1 -0.995 82.2 -81.4-157.9 146.3 44.3 21.6 38.3 426 426 A G - 0 0 0 -2,-0.3 2,-0.5 -3,-0.1 -40,-0.2 -0.363 49.1-161.3 -51.5 130.4 42.2 20.3 35.4 427 427 A D > - 0 0 1 -42,-0.7 4,-3.3 1,-0.1 5,-0.2 -0.960 18.2-158.8-135.6 107.4 43.6 16.8 34.7 428 428 A A H > S+ 0 0 0 -141,-1.4 4,-2.5 -2,-0.5 -140,-0.2 0.893 95.8 45.9 -53.6 -46.6 43.0 15.1 31.3 429 429 A I H > S+ 0 0 0 -142,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.923 114.5 46.6 -68.3 -43.3 43.6 11.6 32.7 430 430 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.970 113.5 49.8 -61.4 -51.5 41.4 12.1 35.8 431 431 A D H X S+ 0 0 1 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.851 106.8 55.8 -52.0 -42.8 38.7 13.6 33.6 432 432 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.957 108.2 47.2 -53.0 -55.3 38.9 10.6 31.3 433 433 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 112.3 52.4 -53.9 -45.9 38.3 8.3 34.2 434 434 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.954 109.8 45.6 -52.3 -62.4 35.3 10.6 35.2 435 435 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.908 114.0 50.1 -49.6 -46.2 33.7 10.5 31.7 436 436 A E H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.891 112.0 47.8 -62.6 -39.5 34.1 6.7 31.5 437 437 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.925 112.3 48.8 -67.8 -42.6 32.6 6.2 35.0 438 438 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.934 110.7 49.1 -66.0 -47.0 29.6 8.5 34.2 439 439 A L H X>S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 5,-1.7 0.900 111.6 51.4 -57.5 -42.5 28.9 6.8 30.9 440 440 A A H <5S+ 0 0 10 -4,-2.0 -233,-0.3 -5,-0.2 -2,-0.2 0.953 112.8 44.4 -57.0 -51.6 29.0 3.5 32.7 441 441 A H H <5S+ 0 0 69 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 119.3 41.4 -65.1 -37.7 26.6 4.6 35.4 442 442 A K H <5S- 0 0 46 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.689 103.4-130.6 -81.1 -18.2 24.2 6.2 33.0 443 443 A G T <5 + 0 0 55 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.2 0.860 52.4 159.5 68.6 36.8 24.5 3.3 30.4 444 444 A W < - 0 0 67 -5,-1.7 -1,-0.2 -6,-0.2 -235,-0.2 -0.780 37.2-149.6-103.2 133.7 25.1 5.9 27.6 445 445 A T > - 0 0 55 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.539 41.7-101.8 -76.0 159.5 26.8 5.4 24.3 446 446 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.871 125.6 56.6 -49.0 -37.1 28.6 8.4 22.9 447 447 A K H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 103.9 50.0 -69.7 -34.9 25.5 9.0 20.7 448 448 A E H 4 S+ 0 0 97 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.873 110.9 51.2 -66.2 -37.9 23.1 9.2 23.6 449 449 A W H >< S+ 0 0 2 -4,-1.9 3,-1.0 1,-0.2 4,-0.2 0.918 111.4 46.3 -62.4 -48.3 25.4 11.7 25.3 450 450 A L H >< S+ 0 0 47 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.860 107.2 59.1 -59.9 -37.5 25.5 13.9 22.1 451 451 A A T 3< S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.641 78.6 94.5 -68.4 -12.5 21.7 13.6 21.9 452 452 A T T < S- 0 0 35 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.779 107.0 -19.1 -52.6 -37.5 21.4 15.2 25.3 453 453 A Y S < S- 0 0 20 -3,-0.9 2,-0.5 -4,-0.2 -1,-0.1 -0.937 72.1-115.6-161.0 163.3 20.8 18.7 23.8 454 454 A T - 0 0 122 -2,-0.3 -3,-0.1 -3,-0.1 -111,-0.0 -0.941 28.8-121.2-114.5 124.3 21.7 20.1 20.3 455 455 A D - 0 0 65 -2,-0.5 3,-0.1 1,-0.1 -114,-0.0 -0.286 23.3-120.5 -58.2 136.8 24.2 22.9 19.9 456 456 A L - 0 0 31 1,-0.1 64,-0.2 43,-0.0 -114,-0.1 -0.660 43.8 -96.6 -69.7 132.6 23.0 26.1 18.3 457 457 A P - 0 0 35 0, 0.0 62,-1.8 0, 0.0 2,-0.3 -0.300 56.0-178.7 -48.0 134.8 25.1 26.7 15.2 458 458 A S E -N 518 0E 44 60,-0.2 2,-0.3 -3,-0.1 60,-0.2 -0.912 20.1-161.5-138.0 166.4 28.0 29.0 16.1 459 459 A R E -N 517 0E 107 58,-2.2 58,-1.7 -2,-0.3 2,-0.4 -0.971 4.3-158.8-152.7 132.7 31.0 30.8 14.5 460 460 A L E -N 516 0E 102 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.947 15.5-175.6-112.9 131.6 34.1 32.4 15.9 461 461 A V E -N 515 0E 37 54,-2.1 54,-2.3 -2,-0.4 2,-0.7 -0.954 23.2-135.8-130.0 149.4 36.1 34.9 13.9 462 462 A R E -N 514 0E 122 -2,-0.3 2,-0.7 52,-0.2 52,-0.2 -0.911 22.5-163.8-101.9 112.8 39.3 36.8 14.5 463 463 A V E -N 513 0E 12 50,-3.3 50,-2.8 -2,-0.7 2,-0.2 -0.880 10.9-141.5-104.5 115.8 39.0 40.5 13.6 464 464 A E E +N 512 0E 136 -2,-0.7 2,-0.3 48,-0.2 48,-0.3 -0.483 27.3 179.0 -66.4 139.3 42.2 42.5 13.1 465 465 A V - 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0 0 71 -5,-2.5 -1,-0.2 -6,-0.1 -235,-0.2 -0.836 38.6-147.9-112.9 140.2 56.2 -27.1 21.1 994 445 B T > - 0 0 50 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.554 40.0-105.2 -83.4 161.9 56.5 -25.6 24.6 995 446 B P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.864 124.1 58.4 -54.0 -36.1 59.7 -23.9 25.6 996 447 B K H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 105.0 49.2 -60.6 -39.4 60.4 -27.1 27.7 997 448 B E H > S+ 0 0 81 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.830 109.6 51.4 -68.5 -33.4 60.2 -29.2 24.6 998 449 B W H >< S+ 0 0 2 -4,-1.7 3,-0.7 1,-0.2 4,-0.2 0.903 111.3 48.5 -69.3 -39.4 62.6 -26.9 22.8 999 450 B L H >< S+ 0 0 50 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.892 106.9 55.4 -64.1 -41.8 65.0 -27.2 25.8 1000 451 B A H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.602 78.3 97.4 -70.6 -12.6 64.8 -31.0 25.8 1001 452 B T T << S- 0 0 33 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 0.803 106.2 -24.2 -47.3 -39.0 65.8 -31.1 22.2 1002 453 B Y < - 0 0 21 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.1 -0.936 69.3-113.7-160.6 169.2 69.4 -31.9 23.3 1003 454 B T - 0 0 113 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.962 26.1-123.8-119.1 127.0 71.5 -31.2 26.5 1004 455 B D - 0 0 70 -2,-0.5 3,-0.1 1,-0.1 -114,-0.0 -0.315 26.6-115.5 -56.5 139.5 74.5 -28.9 26.7 1005 456 B L - 0 0 20 1,-0.1 64,-0.2 43,-0.0 -1,-0.1 -0.627 45.1 -95.7 -68.6 135.5 77.8 -30.3 28.0 1006 457 B P - 0 0 36 0, 0.0 62,-1.6 0, 0.0 2,-0.3 -0.295 58.2-175.0 -49.1 139.9 78.6 -28.5 31.2 1007 458 B S E -D 1067 0K 46 60,-0.2 2,-0.3 -3,-0.1 60,-0.2 -0.924 21.2-155.8-142.1 165.5 81.0 -25.7 30.3 1008 459 B R E -D 1066 0K 113 58,-2.3 58,-2.1 -2,-0.3 2,-0.4 -0.992 0.5-165.6-148.7 137.5 83.1 -23.0 31.9 1009 460 B L E -D 1065 0K 103 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.996 13.9-178.5-127.0 126.8 84.4 -19.6 30.6 1010 461 B V E -D 1064 0K 43 54,-2.2 54,-2.6 -2,-0.4 2,-0.7 -0.981 23.7-138.4-134.0 136.0 87.2 -17.8 32.5 1011 462 B R E -D 1063 0K 117 -2,-0.4 2,-0.7 52,-0.2 52,-0.2 -0.869 23.4-164.0 -96.3 111.2 88.9 -14.5 31.8 1012 463 B V E -D 1062 0K 11 50,-3.0 50,-3.1 -2,-0.7 2,-0.0 -0.871 11.5-138.5-105.1 115.1 92.6 -14.9 32.4 1013 464 B E E +D 1061 0K 138 -2,-0.7 2,-0.3 48,-0.2 48,-0.2 -0.356 28.4 174.8 -63.7 147.2 94.7 -11.8 32.9 1014 465 B V - 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